SCHEMBL13264753

SCHEMBL13264753

C=Cc1c(SC(F)(F)F)c(C#N)nn1-c1c(C)cc(CF)cc1Cl

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
NR1I2 O75469 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRE P78334 1/20 0.31
GABRA6 Q16445 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GABRG1 Q8N1C3 1/20 0.31
GABRG3 Q99928 1/20 0.31
GABRQ Q9UN88 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2839580 0.80 GABRB3 (0.47) GABRPGABRDNR1I2LMNACYP3A4
SCHEMBL13264754 0.78 GABRB3 (0.36) GABRPGABRDNR1I2LMNACYP3A4
SCHEMBL16864090 0.77 GABRP (0.46) GABRPGABRDNR1I2LMNACYP3A4
SCHEMBL2839181 0.73 GABRB3 (0.46) GABRPGABRDNR1I2LMNACYP3A4
SCHEMBL12315444 0.71 GABRP (0.54) GABRPGABRDNR1I2LMNACYP3A4
SCHEMBL2842449 0.70 GABRB3 (0.48) GABRPGABRDNR1I2LMNACYP3A4
SCHEMBL15887486 0.70 GABRP (0.46) GABRPGABRDNR1I2LMNACYP3A4
SCHEMBL2837055 0.70 GABRB3 (0.50) GABRPGABRDNR1I2LMNACYP3A4
SCHEMBL6055918 0.68 GABRB3 (0.53) GABRPGABRDNR1I2LMNACYP3A4
SCHEMBL2836815 0.68 GABRP (0.35) GABRPGABRDNR1I2LMNACYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759381-B2 1-aryl-5-alkyl pyrazole derivative compounds, processes of making and methods of using thereof AVENTIS AGRICULTURE (FR) 2010-07-20 US disclosed